Consensus flow list

Identity

Type
NeutralMolecule
CAS
5598-13-0
EC
227-011-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Chlorpyrifos-methyl

What it is used for

5

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
acaricide CHEBI:22153 A substance used to destroy pests of the subclass Acari (mites and ticks). ChEBI
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HRBKVYFZANMGRE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3
IUPAC name chemrof:IUPAC_name O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate
Molecular formula chemrof:molecular_formula C7H7Cl3NO3PS
Molecular mass chemrof:molecular_mass 322.537
Monoisotopic mass chemrof:monoisotopic_mass 320.89498, 320.894984
SMILES string chemrof:smiles_string COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl

Known URLs

18

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=5598-13-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34632 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.024.556 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6032352 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1370646 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/O49S38267J enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0250138 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.075I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14520 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14520 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55003 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C163642 enrich_references.pubchem_identifier_url
pesticides pesticides:chlorpyrifos-methyl enrich_references.chebi_xrefs
ppdb ppdb:155 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21803 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
reaxys reaxys:1541078 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2964145 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
e97462be-8a5b-4f97-931b-439e48eeb905 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d42ba82a-72cd-44b9-be13-c9e9a5cfa3fb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
18baeff6-4914-46b5-9e69-169047147839 Environmental → Air → Indoor EF 3.1 kg 4
cc31fe35-45eb-456f-97cc-9b3a86667945 Environmental → Air → Long-term EF 3.1 kg 0
beb371c1-50ed-4007-a9a1-f6683f15782c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3d1f2370-580e-45bd-a561-fc0a8bb92ddd Environmental → Air → Unknown EF 3.1 kg 4
fd009330-fb96-4fa4-a68b-60750db4707a Environmental → Ground → Agricultural EF 3.1 kg 4
a324417b-1176-4846-9d7f-cd88c93aa5ac Environmental → Ground → Non-agricultural EF 3.1 kg 4
882b09169f8da9bb24b124cb56703fd17b97a731 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
58f9434b-c3e8-4e68-a7e3-ee5acc55ad4a Environmental → Ground → Unknown EF 3.1 kg 4
809a774d-f65b-4ae1-9a37-e796e12e28bb Environmental → Water → Long-term EF 3.1 kg 0
ff2a3274-d342-460b-b651-8bfe5a2eb23c Environmental → Water → Ocean EF 3.1 kg 4
6bf7ed7f-b0ee-4c03-8c46-974b6daf9482 Environmental → Water → Surface water EF 3.1 kg 4
925fd651-2401-47d3-9c77-a1dcb419d943 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-89abfd9270778781",
  "prefLabel": [
    {
      "@value": "Chlorpyrifos-methyl",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Chloropyriphos-methyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Chlorpyrifos M",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Chlorpyrifos O,O-dimethyl analog",
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    },
    {
      "@value": "Chlorpyriphos-methyl",
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      }
    },
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      "@value": "Cyfen",
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    },
    {
      "@value": "Dursban ME",
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      }
    },
    {
      "@value": "Dursban methyl",
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      }
    },
    {
      "@value": "Methyl chlorpyrifos",
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      }
    },
    {
      "@value": "Methyl chlorpyriphos",
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    },
    {
      "@value": "Methyl Dursban",
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      }
    },
    {
      "@value": "Noltran",
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    },
    {
      "@value": "O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate",
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    },
    {
      "@value": "O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) thiophosphate",
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      }
    },
    {
      "@value": "O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate",
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    },
    {
      "@value": "O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate",
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      }
    },
    {
      "@value": "o,o-Dimethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "O-(3,5,6-Trichloro-2-pyridinyl) O,O-dimethyl phosphorothioate",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridinyl) ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridyl) ester",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Reldan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Reldan E",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trichlormethylfos",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    }
  ],
  "properties": {
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      "@value": [
        "C7H7Cl3NO3PS"
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      },
      "rdfs:label": "Molecular formula",
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      "rdfs:label": "InChI",
      "@value": [
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "@value": [
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      "rdfs:label": "Molecular mass",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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